==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUL-05 2CZN . COMPND 2 MOLECULE: CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR T.UEGAKI,T.IKEGAMI,T.NAKAMURA,Y.HAGIHARA,S.MINE,T.INOUE, . 103 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 43.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 256 A G 0 0 120 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.5 84.9 4.6 -15.3 2 257 A P - 0 0 115 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.036 360.0 -53.2 -73.2-178.6 83.9 8.2 -15.2 3 258 A T - 0 0 141 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.394 63.1-162.8 -60.2 120.2 85.7 10.8 -13.0 4 259 A T - 0 0 113 -2,-0.3 -1,-0.0 -3,-0.1 2,-0.0 -0.915 12.3-129.5-112.6 134.0 85.6 9.4 -9.4 5 260 A P - 0 0 74 0, 0.0 98,-0.0 0, 0.0 -1,-0.0 -0.291 24.5-118.4 -72.9 160.2 86.3 11.5 -6.3 6 261 A V - 0 0 106 -2,-0.0 2,-0.1 2,-0.0 96,-0.1 -0.833 21.9-117.1-105.8 142.8 88.8 10.4 -3.7 7 262 A P + 0 0 63 0, 0.0 96,-0.2 0, 0.0 3,-0.1 -0.419 28.5 177.1 -72.7 146.1 88.0 9.7 -0.1 8 263 A V S S+ 0 0 114 94,-0.4 95,-0.1 1,-0.1 3,-0.1 0.027 70.4 35.3-139.9 29.8 89.6 11.9 2.6 9 264 A S S S+ 0 0 78 1,-0.4 2,-0.2 93,-0.1 -1,-0.1 -0.153 111.5 0.7 179.3 74.3 88.2 10.6 5.9 10 265 A G - 0 0 31 -3,-0.1 -1,-0.4 21,-0.1 2,-0.3 -0.675 67.7-103.5 128.8 175.0 87.5 6.8 6.3 11 266 A S E -A 30 0A 64 19,-2.0 19,-2.6 -2,-0.2 2,-0.3 -0.937 22.1-167.8-135.8 158.6 87.8 3.6 4.3 12 267 A L E -A 29 0A 42 -2,-0.3 2,-0.5 17,-0.3 17,-0.2 -0.911 6.2-176.7-153.0 123.9 85.4 1.4 2.4 13 268 A E E -A 28 0A 131 15,-2.9 15,-3.1 -2,-0.3 2,-0.4 -0.950 13.4-170.8-122.1 113.7 85.8 -2.2 1.0 14 269 A V E -A 27 0A 54 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.828 4.3-174.5-108.1 145.8 82.8 -3.6 -1.0 15 270 A K E -A 26 0A 146 11,-0.9 11,-2.0 -2,-0.4 2,-0.4 -0.918 5.5-160.3-130.2 156.9 82.4 -7.2 -2.2 16 271 A V E -A 25 0A 71 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.990 11.5-176.4-144.7 139.4 79.6 -8.7 -4.4 17 272 A N E -A 24 0A 67 7,-0.7 7,-2.1 -2,-0.4 2,-0.4 -0.938 12.7-163.1-134.5 110.9 78.3 -12.2 -5.1 18 273 A D E +A 23 0A 72 -2,-0.4 5,-0.2 5,-0.3 3,-0.1 -0.797 16.9 175.5 -98.7 135.4 75.5 -12.7 -7.7 19 274 A W - 0 0 105 3,-2.6 2,-1.7 -2,-0.4 4,-0.1 0.112 52.7-110.4-119.8 20.1 73.5 -15.9 -7.8 20 275 A G S S+ 0 0 19 2,-0.5 65,-0.4 1,-0.2 -1,-0.1 -0.554 114.4 63.8 87.1 -78.0 71.1 -14.8 -10.5 21 276 A S S S- 0 0 89 -2,-1.7 2,-0.3 63,-0.1 64,-0.2 0.793 125.8 -13.8 -51.2 -24.6 67.9 -14.5 -8.4 22 277 A G - 0 0 0 62,-0.2 -3,-2.6 25,-0.0 -2,-0.5 -0.984 64.7-123.9-165.6 174.3 69.8 -11.7 -6.5 23 278 A A E -AB 18 83A 0 60,-2.4 60,-1.7 -2,-0.3 2,-0.3 -0.988 17.3-137.4-133.6 141.8 73.2 -10.1 -5.9 24 279 A E E -AB 17 82A 58 -7,-2.1 -7,-0.7 -2,-0.4 2,-0.2 -0.727 15.2-174.2 -97.7 146.6 75.1 -9.5 -2.7 25 280 A Y E -AB 16 81A 6 56,-1.7 56,-1.0 -2,-0.3 -9,-0.2 -0.656 5.9-167.6-141.8 85.2 77.0 -6.2 -2.0 26 281 A D E -AB 15 80A 42 -11,-2.0 -11,-0.9 54,-0.2 54,-0.3 -0.326 0.7-166.2 -69.6 154.2 79.1 -6.1 1.2 27 282 A V E -AB 14 79A 0 52,-3.1 52,-2.1 -13,-0.2 2,-0.7 -0.705 3.1-171.8-145.0 89.3 80.3 -2.7 2.4 28 283 A T E -AB 13 78A 42 -15,-3.1 -15,-2.9 50,-0.3 2,-0.4 -0.721 12.2-166.0 -86.1 117.5 83.1 -2.7 5.0 29 284 A L E -AB 12 77A 0 48,-1.9 48,-2.0 -2,-0.7 2,-0.5 -0.820 7.8-162.9-106.3 144.1 83.7 0.8 6.3 30 285 A N E +AB 11 76A 56 -19,-2.6 -19,-2.0 -2,-0.4 2,-0.3 -0.953 15.2 170.0-126.6 115.9 86.7 1.9 8.4 31 286 A L - 0 0 10 44,-3.2 -21,-0.1 -2,-0.5 -2,-0.0 -0.900 40.0-128.7-124.9 155.2 86.6 5.2 10.3 32 287 A D S S- 0 0 143 -2,-0.3 2,-0.3 42,-0.1 44,-0.1 -0.023 89.5 -18.7 -89.8 34.9 88.9 6.7 12.9 33 288 A G S S- 0 0 20 41,-0.2 2,-1.1 2,-0.1 -2,-0.1 -0.993 107.5 -32.5 161.6-157.4 86.0 7.4 15.3 34 289 A Q + 0 0 129 -2,-0.3 2,-0.4 41,-0.1 40,-0.2 -0.725 67.7 158.0 -96.4 93.6 82.2 7.7 15.3 35 290 A Y - 0 0 89 -2,-1.1 2,-1.2 38,-0.8 64,-0.1 -0.910 47.1-117.8-116.4 143.1 81.2 9.2 12.0 36 291 A D - 0 0 82 -2,-0.4 2,-0.7 62,-0.1 63,-0.6 -0.604 36.8-172.6 -77.9 98.7 77.8 8.9 10.3 37 292 A W E -D 98 0B 0 -2,-1.2 2,-0.6 61,-0.3 61,-0.3 -0.816 5.0-172.0 -98.3 113.3 78.7 7.0 7.1 38 293 A T E -D 97 0B 33 59,-1.9 59,-2.5 -2,-0.7 2,-0.7 -0.884 6.9-159.3-105.7 115.6 75.8 6.8 4.6 39 294 A V E -DE 96 66B 0 27,-2.9 27,-1.7 -2,-0.6 2,-0.4 -0.812 5.8-160.1 -97.2 113.9 76.4 4.5 1.6 40 295 A K E -DE 95 65B 81 55,-1.5 55,-2.9 -2,-0.7 2,-0.4 -0.745 7.9-173.4 -92.5 135.1 74.1 5.2 -1.4 41 296 A V E -DE 94 64B 0 23,-3.2 23,-0.9 -2,-0.4 53,-0.2 -0.892 15.5-145.7-132.3 108.1 73.8 2.4 -3.9 42 297 A K E -DE 93 63B 52 51,-1.8 51,-1.4 -2,-0.4 50,-0.5 -0.485 24.2-134.0 -70.0 134.6 71.8 3.0 -7.2 43 298 A L E -D 91 0B 6 19,-3.9 48,-0.4 48,-0.3 3,-0.1 -0.481 22.6 -95.7 -88.5 162.5 70.0 -0.2 -8.2 44 299 A A > - 0 0 5 46,-4.2 2,-2.6 1,-0.2 3,-2.2 -0.042 63.1 -66.9 -64.4 176.8 69.9 -1.7 -11.8 45 300 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 -0.397 132.8 1.1 -67.8 77.3 67.1 -1.0 -14.2 46 301 A G T 3 S+ 0 0 62 -2,-2.6 2,-0.3 1,-0.3 -2,-0.1 0.581 104.0 131.3 115.4 19.7 64.5 -2.8 -12.1 47 302 A A < + 0 0 1 -3,-2.2 2,-0.3 15,-0.1 -1,-0.3 -0.766 29.2 179.3-103.7 150.2 66.7 -3.9 -9.2 48 303 A T E -C 84 0A 82 36,-1.0 36,-2.0 -2,-0.3 2,-0.1 -0.997 33.7-104.4-149.9 144.4 65.9 -3.5 -5.5 49 304 A V E +C 83 0A 14 -2,-0.3 34,-0.3 34,-0.3 3,-0.1 -0.433 39.0 166.5 -67.4 136.5 67.6 -4.3 -2.1 50 305 A G E + 0 0 49 32,-4.5 2,-0.4 1,-0.3 33,-0.2 0.690 63.2 27.5-119.8 -42.0 66.0 -7.3 -0.5 51 306 A S E +C 82 0A 59 31,-1.1 31,-2.2 2,-0.0 -1,-0.3 -0.978 66.4 151.0-128.9 130.0 68.4 -8.4 2.3 52 307 A F E -C 81 0A 81 -2,-0.4 2,-0.3 29,-0.3 29,-0.3 -0.933 13.9-175.5-146.4 169.1 70.9 -6.2 4.2 53 308 A W E +C 80 0A 112 27,-1.8 27,-1.5 -2,-0.3 3,-0.0 -0.995 59.4 34.8-164.0 161.0 72.5 -6.0 7.7 54 309 A S S S+ 0 0 24 -2,-0.3 15,-0.4 25,-0.2 2,-0.3 0.752 113.2 56.7 62.9 21.0 74.8 -3.9 10.0 55 310 A A S S- 0 0 2 13,-0.2 2,-0.5 25,-0.1 25,-0.1 -0.897 90.8-103.6-175.0 144.3 73.3 -0.8 8.4 56 311 A N E -F 67 0B 88 11,-1.9 11,-1.0 -2,-0.3 2,-0.4 -0.626 38.5-144.4 -78.5 124.4 69.9 0.8 7.9 57 312 A K E -F 66 0B 50 -2,-0.5 2,-0.2 9,-0.2 9,-0.2 -0.718 18.4-174.5 -91.9 138.3 68.7 0.4 4.3 58 313 A Q - 0 0 104 7,-1.5 7,-0.5 -2,-0.4 2,-0.4 -0.717 18.2-134.6-121.4 173.7 66.8 3.1 2.5 59 314 A E - 0 0 118 5,-0.3 5,-0.3 -2,-0.2 2,-0.2 -0.878 16.1-179.1-136.4 106.5 65.1 3.2 -0.9 60 315 A G - 0 0 26 -2,-0.4 4,-0.2 3,-0.2 -1,-0.0 -0.129 68.1 -85.1 -94.0 40.8 65.5 6.3 -3.2 61 316 A N S S+ 0 0 144 2,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.975 120.3 10.9 57.4 82.3 63.3 4.8 -5.9 62 317 A G S S+ 0 0 31 1,-0.4 -19,-3.9 -15,-0.1 30,-0.3 0.446 131.5 54.8 98.8 0.9 65.8 2.6 -7.9 63 318 A Y E -E 42 0B 88 -21,-0.3 -1,-0.4 28,-0.1 2,-0.3 -0.784 66.4-146.2-145.8-169.6 68.5 3.0 -5.3 64 319 A V E -E 41 0B 0 -23,-0.9 -23,-3.2 -5,-0.3 2,-0.4 -0.991 6.3-139.1-162.5 157.8 69.1 2.4 -1.5 65 320 A I E -E 40 0B 30 -7,-0.5 -7,-1.5 -2,-0.3 2,-0.5 -0.954 7.5-157.4-126.7 145.9 71.1 3.9 1.4 66 321 A F E +EF 39 57B 0 -27,-1.7 -27,-2.9 -2,-0.4 -9,-0.2 -0.967 16.5 172.9-123.2 128.5 73.0 2.3 4.3 67 322 A T E - F 0 56B 39 -11,-1.0 -11,-1.9 -2,-0.5 2,-0.3 -0.859 44.4 -77.8-129.6 166.4 73.8 4.0 7.6 68 323 A P - 0 0 19 0, 0.0 -13,-0.2 0, 0.0 5,-0.2 -0.445 45.1-151.8 -65.2 121.2 75.3 2.9 10.9 69 324 A V - 0 0 27 -15,-0.4 -13,-0.0 -2,-0.3 -16,-0.0 0.672 53.2 -59.1 -64.4-125.7 72.7 1.0 12.9 70 325 A S S S+ 0 0 95 1,-0.1 3,-0.1 2,-0.0 -1,-0.1 0.605 137.1 19.1-100.7 -13.1 73.1 1.2 16.8 71 326 A W S S+ 0 0 170 1,-0.0 3,-0.3 2,-0.0 -1,-0.1 0.295 106.8 79.5-136.4 6.6 76.6 -0.3 17.0 72 327 A N S S+ 0 0 11 1,-0.2 -3,-0.1 5,-0.1 -2,-0.0 -0.109 73.7 79.2-108.4 38.1 78.0 0.2 13.5 73 328 A K + 0 0 80 -5,-0.2 -38,-0.8 -3,-0.1 -1,-0.2 0.475 67.7 99.0-118.7 -7.7 78.9 3.9 13.7 74 329 A G S S- 0 0 12 -3,-0.3 -39,-0.7 2,-0.3 -41,-0.2 0.366 106.2 -59.4 -58.4-153.6 82.2 3.5 15.7 75 330 A P S S+ 0 0 66 0, 0.0 -44,-3.2 0, 0.0 2,-0.3 0.332 128.6 34.3 -76.6 8.3 85.5 3.7 13.9 76 331 A T E +B 30 0A 78 -46,-0.3 2,-0.3 -43,-0.1 -2,-0.3 -0.878 60.3 170.2-163.8 128.1 84.5 0.7 11.8 77 332 A A E -B 29 0A 1 -48,-2.0 -48,-1.9 -2,-0.3 2,-0.5 -0.869 8.8-170.6-146.4 111.3 81.1 -0.5 10.4 78 333 A T E +B 28 0A 51 -2,-0.3 -50,-0.3 -50,-0.3 2,-0.3 -0.873 19.5 156.2-104.4 126.7 80.7 -3.4 7.9 79 334 A F E -B 27 0A 0 -52,-2.1 -52,-3.1 -2,-0.5 2,-0.3 -0.829 18.7-159.3-137.1 175.4 77.2 -3.9 6.4 80 335 A G E -BC 26 53A 0 -27,-1.5 -27,-1.8 -54,-0.3 2,-0.3 -0.990 4.1-160.0-155.0 163.3 75.8 -5.5 3.2 81 336 A F E -BC 25 52A 0 -56,-1.0 -56,-1.7 -2,-0.3 2,-0.5 -0.999 9.4-147.3-147.0 148.3 72.7 -5.5 1.0 82 337 A I E -BC 24 51A 9 -31,-2.2 -32,-4.5 -2,-0.3 -31,-1.1 -0.954 15.4-160.7-121.1 121.0 71.3 -7.9 -1.6 83 338 A V E -BC 23 49A 0 -60,-1.7 -60,-2.4 -2,-0.5 2,-0.4 -0.616 5.7-146.1 -97.1 159.6 69.4 -6.6 -4.7 84 339 A N E + C 0 48A 71 -36,-2.0 -36,-1.0 -62,-0.2 -62,-0.2 -0.980 50.1 80.1-128.0 129.6 67.0 -8.5 -6.9 85 340 A G S S+ 0 0 29 -65,-0.4 -38,-0.1 -2,-0.4 5,-0.1 -0.758 77.1 9.0 179.3-129.6 66.5 -8.0 -10.6 86 341 A P S S- 0 0 50 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 -0.111 81.1 -94.3 -69.6 171.6 68.4 -9.1 -13.8 87 342 A Q S S+ 0 0 120 1,-0.1 2,-0.7 -3,-0.1 -66,-0.1 -0.771 98.3 16.6 -94.6 131.5 71.2 -11.6 -13.7 88 343 A G S S+ 0 0 41 -2,-0.5 2,-0.5 -66,-0.1 -68,-0.1 -0.769 125.2 24.6 115.9 -87.5 74.8 -10.3 -13.5 89 344 A D + 0 0 111 -2,-0.7 3,-0.1 1,-0.1 -46,-0.0 -0.939 53.0 162.4-115.6 131.4 74.7 -6.7 -12.4 90 345 A K + 0 0 0 -2,-0.5 -46,-4.2 1,-0.1 2,-0.4 0.275 59.4 70.6-129.2 10.5 71.7 -5.3 -10.4 91 346 A V E -D 43 0B 25 -48,-0.4 -48,-0.3 1,-0.1 -1,-0.1 -0.962 63.9-150.0-133.3 120.0 73.1 -2.1 -9.0 92 347 A E E S- 0 0 123 -50,-0.5 2,-0.3 -2,-0.4 -49,-0.2 0.928 76.2 -41.2 -52.5 -45.4 73.9 1.0 -11.0 93 348 A E E -D 42 0B 91 -51,-1.4 -51,-1.8 2,-0.0 2,-0.6 -0.956 47.2-124.6-177.1 158.4 76.7 1.9 -8.6 94 349 A I E +D 41 0B 48 -2,-0.3 2,-0.3 -53,-0.2 -53,-0.2 -0.913 29.9 179.1-120.6 109.3 77.7 2.1 -4.9 95 350 A T E -D 40 0B 47 -55,-2.9 -55,-1.5 -2,-0.6 2,-0.5 -0.798 21.2-136.0-108.0 151.0 78.9 5.5 -3.6 96 351 A L E +D 39 0B 3 7,-0.6 7,-3.3 -2,-0.3 2,-0.4 -0.897 26.3 169.7-107.7 126.3 80.0 6.3 -0.0 97 352 A E E -DG 38 102B 73 -59,-2.5 -59,-1.9 -2,-0.5 2,-0.8 -0.900 18.1-158.7-138.2 110.2 78.8 9.6 1.6 98 353 A I E > S-DG 37 101B 10 3,-4.4 3,-4.3 -2,-0.4 -61,-0.3 -0.758 77.0 -44.3 -91.3 111.3 79.3 10.3 5.3 99 354 A N T 3 S- 0 0 111 -2,-0.8 -1,-0.2 -63,-0.6 3,-0.1 0.806 131.7 -30.9 39.2 32.3 76.7 12.9 6.4 100 355 A G T 3 S+ 0 0 46 1,-0.3 2,-0.7 -62,-0.1 -1,-0.3 0.186 116.1 115.4 114.9 -17.7 77.7 14.7 3.2 101 356 A Q E < -G 98 0B 118 -3,-4.3 -3,-4.4 -92,-0.0 2,-0.4 -0.751 58.3-144.1 -89.5 115.6 81.3 13.6 2.9 102 357 A V E G 97 0B 51 -2,-0.7 -94,-0.4 -5,-0.3 -5,-0.3 -0.612 360.0 360.0 -79.1 130.1 81.8 11.4 -0.2 103 358 A I 0 0 34 -7,-3.3 -7,-0.6 -2,-0.4 -1,-0.1 -0.195 360.0 360.0-132.9 360.0 84.3 8.6 0.4